[3-(1-hydroxyethyl)phenyl]thiourea

C9H12N2OS — CID 87682391

IUPAC[3-(1-hydroxyethyl)phenyl]thiourea
SMILESCC(O)c1cccc(NC(N)=S)c1
InChIInChI=1S/C9H12N2OS/c1-6(12)7-3-2-4-8(5-7)11-9(10)13/h2-6,12H,1H3,(H3,10,11,13)
InChIKeyXRAQYIBPLGFHLQ-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.40
Rot. Bonds2

About [3-(1-hydroxyethyl)phenyl]thiourea

[3-(1-hydroxyethyl)phenyl]thiourea (PubChem CID 87682391) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)phenyl]thiourea.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)phenyl]thiourea
PubChem CID87682391
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name[3-(1-hydroxyethyl)phenyl]thiourea
SMILESCC(O)c1cccc(NC(N)=S)c1
InChIInChI=1S/C9H12N2OS/c1-6(12)7-3-2-4-8(5-7)11-9(10)13/h2-6,12H,1H3,(H3,10,11,13)
InChIKeyXRAQYIBPLGFHLQ-UHFFFAOYSA-N
XLogP1.40
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[3-(difluoromethyl)phenyl]thiourea
CID 118556287
1-[3-(1-hydroxyethyl)phenyl]-3-propan-2-ylthiourea
CID 134097128
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
1-[3-[(1R)-1-hydroxyethyl]phenyl]-3-prop-2-enylthiourea
CID 92527157
1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 18751970
1-[3-(tert-butylamino)phenyl]ethanol
CID 12585902
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
1-[3-(2-aminopropylamino)phenyl]ethanol
CID 83962997
(3-chlorophenyl)thiourea
CID 2734794
3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide
CID 106098277
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
N-[4-[[3-(1-hydroxyethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 57284726

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)phenyl]thiourea?
The IUPAC name of [3-(1-hydroxyethyl)phenyl]thiourea (CID 87682391) is [3-(1-hydroxyethyl)phenyl]thiourea.
What is the SMILES notation for [3-(1-hydroxyethyl)phenyl]thiourea?
The canonical SMILES for [3-(1-hydroxyethyl)phenyl]thiourea is CC(O)c1cccc(NC(N)=S)c1.
What is the InChIKey of [3-(1-hydroxyethyl)phenyl]thiourea?
The InChIKey is XRAQYIBPLGFHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6(12)7-3-2-4-8(5-7)11-9(10)13/h2-6,12H,1H3,(H3,10,11,13).
What are the key properties of [3-(1-hydroxyethyl)phenyl]thiourea?
[3-(1-hydroxyethyl)phenyl]thiourea has a molecular weight of 196.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)phenyl]thiourea is sourced from PubChem (CID 87682391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).